chau-chyun chen - ttu · chau-chyun chen 1 chau-chyun chen ... 1981 – june 2013 aspen technology,...

Chau-Chyun Chen

1

Chau-Chyun Chen

Jack Maddox Distinguished Chair in Engineering

Department of Chemical Engineering

Texas Tech University

Lubbock, Texas 79409-3121

Tel: (806) 742-3553

Mobile: (617) 233-9758

E-mail [email protected]

Education

Sc.D. in Chemical Engineering, Massachusetts Institute of Technology, 1980

Dissertation: Computer Simulation of Chemical Processes with Electrolytes

Thesis Advisor: Professor Lawrence B. Evans

M.S. in Chemical Engineering, Massachusetts Institute of Technology, 1977

Dissertation: A Pellicular Immobilized Enzyme System for the Regeneration of Adenosine 5'-

Triphosphate

Thesis Advisor: Professor Clark K. Colton

B.S. in Chemistry, National Taiwan University, 1973

Professional Experience

July 2013 – Texas Tech University, Department of Chemical Engineering

Jack Maddox Distinguished Chair in Engineering

1981 – June 2013 Aspen Technology, Inc., Burlington, MA

Vice President of Technology (July 2006 to June 2013)

Senior Technology Fellow (July 2005 to June 2006)

Technology Fellow (Sept 2000 to June 2005)

Business Director for Applied Physical Properties & Chemistries

Vice President of Advanced Technology

Vice President and Director of Applications Technology;

Vice President (Aspen Plus® Electrolytes Manager);

Principal Engineer (Aspen Plus® Electrolytes Manager);

Senior Engineer

Co-founder

1994 - 1995 Massachusetts Institute of Technology, BioProcess Engineering Center

Research Affiliate

1992 - 1993 Massachusetts Institute of Technology, BioProcess Engineering Center

Visiting Scientist

mailto:[email protected]

Chau-Chyun Chen

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1980 - 1981 Massachusetts Institute of Technology, Energy Laboratory

Research Engineer, ASPEN (Advanced System for Process Engineering)

Project

Selected Honors/Awards

EPISTAR Lectureship, National Tsinghua University, Taiwan, 2009

Elected Member of the National Academy of Engineering, February 2005

- For contributions to molecular thermodynamics and process modeling technology for designing industrial

processes with complex chemical systems.

Computing Practice Award, Computing and Systems Technology Division, AIChE, 2001. - For

Outstanding Leadership and Contributions to Industrial Practice of Molecular Thermodynamics and Fundamental

Process Modeling of Complex Chemical Systems with Electrolytes and with Polymers.

Ted Peterson Best Paper Award, Computing and Systems Technology Division, AIChE, 1984. -

In recognition of his paper: C.C. Chen, H.I. Britt, J.F. Boston & L.B. Evans, “A Local Composition Model for

Excess Gibbs Energy of Electrolyte Systems,” AIChE Journal, 1982, 25, 599.

Professional Societies

American Chemical Society

American Institute of Chemical Engineers

American Association for the Advancement of Science

Chinese American Chemical Society

U.S. National Academy of Engineering

Professional Activities and Services

Scientific Advisory Committee Member, 7th US-China Joint Chemical Engineering

Conference, Beijing, China, October 14-18, 2013

International Advisory Board Member, 13th International Conference on Properties and Phase

Equilibria for Product and Process Design PPEPPD, Iguazu Falls, Argentina-Brazil, May 26-

30, 2013

Board Member, Advisory Board of Science and Technology for the National Institute of

Clean-and-Low-Carbon Energy, Shenhua Group, China, 2009 – present

Board Member (Industrial Trustee), the Computer Aids for Chemical Engineering Education

(CACHE) Corporation (Not-for-Profit), 2003 – present

Editorial Board Member of Fluid Phase Equilibria, 2001 – present

Editorial Advisory Board Member of Industrial & Engineering Chemistry Research, 2011 –

2013

Guest Editorial Advisory Board Member, Annual Review of Chemical and Biomolecular

Engineering, 2012


Chau-Chyun Chen

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Conference, Beijing, China, November 7-10, 2011

Awards Committee Member, American Institute of Chemical Engineers (AIChE), 2006-2010

International Organizing Committee Member, 12th International Conference on Properties

and Phase Equilibria for Product and Process Design PPEPPD, Suzhou, China, May 16-21,

2010

Chemical Engineering Peer Committee Member, National Academy of Engineering, 2007-

2009

Board Member, Chinese American Chemical Society, 2008 – 2009

Board Member, New England American Chinese Professionals, 2007 – 2009

Symposium Co-Chair, “Computer Simulation and Experimental Validation”, 5th US-China

Joint Chemical Engineering Conference, Beijing, China, October 13-16, 2009


Conference, Beijing, China, October 13-16, 2009

Session Co-Chair, “Robust and Uncertain Systems”, Foundation for Computer-Aided

Process Design, Breckenridge, Colorado, June 7-12, 2009

Session Chair, “Pharmaceuticals,” 11th International Conference on Properties and Phase

Equilibria for Product and Process Design PPEPPD, Hersonissos, Crete, Greece, May 20-25,

2007

Member, Benchmark and Non-Simulation Predictive Methods Task Force, Industrial Fluid

Property Simulation Collective, 2007

Chair, Technical Publication Task Force, Aspen Technology, Inc., 2006

Chair, University Consortium Program, Aspen Technology, Inc., 2005

Chair, Technical Ladder Panel Review Program, Aspen Technology, Inc., 2005

Chair, Technical Achievement Award Program, Aspen Technology, Inc., 2004

Member, Technical Ladder Council, Aspen Technology, Inc., 2003-2006

Session Chair, AIChE National Meeting, 2004, New Orleans, LA, “Phase Equilibria and

Fluid Properties of Polymers and Heavy Oils”

Editorial Board Member of Chinese Journal of Process Engineering, 2001 – 2003

Technology Management Team Member, Aspen Technology, Inc., 2003 – 2004

Technology Advisory Board Member, Aspen Technology, Inc., 2001– 2002

Representative of Aspen Technology, Inc. at the Council for Chemical Research, 2001–2002

Track Chair, AspenWorld 2002, Washington D.C., “Enabling and Emerging Technologies”

Session Chair, AspenWorld 2002, Washington D.C., “Impact of Biotechnology and Its

Future Commercial Development”

Session Chair, AspenWorld 2002, Washington D.C., “Simulation and Optimization:

Polymers”

Session Chair, AIChE Annual Meeting, 2000, Los Angeles, CA, “Thermophysical Properties

and Phase Behavior”

Session Chair, AspenWorld 2000, Orlando, FL, “Process Development & Design for

Polymers”

Management Representative of Aspen Technology, Inc. at the Design Institute of Physical

Property Data of AIChE, 1992 – 2000

Session Chair, AIChE Symposium, 1992, New Orleans, LA, “Thermophysical Properties for

Industrial Process Design; B. Property Modeling and Applications”

Chau-Chyun Chen

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RESEARCH ACTIVITIES

Summary of Research Productivity (as of 7/27/2013)

Web of Science Citations: 2564 total citations, 67 articles with citation data, 38.3 citations

per article, h-index of 24

Refereed Journal Articles: 69 published

Other Journal Articles: 14 published

Refereed Book Chapters: 7 published

Refereed Proceedings: 13 published

Invited Lectures: 34

Conference Presentations: 128

Patents Granted: 13

Patents Pending: 9

Research Interests: 1) Molecular thermodynamics, Thermophysical properties and fluid

phase equilibria, Process modeling and simulation; 2) Petroleum crude characterization,

Hydraulic fracturing & flow-back fluids; 3) CO2 capture systems, Energy storage systems, 4)

Pharmaceutical solubility modeling

Patents and Pending Patents

1. C.-C. Chen, H. Que, “Method of Characterizing Chemical Composition of Crude Oil for

Petroleum Processing,” U.S. Patent Application No.: 2013/0185044, July 18, 2013.

2. C.-C. Chen, H. Que, “Method of Characterizing Chemical Composition of Crude Oil for

Petroleum Processing,” PCT International Application No.: PCT/US13/21294, January 11,

2013.

3. C.-C. Chen, Y. Song, “Computer Method and System for Predicting Physical Properties

Using a Conceptual Segment-Based Ionic Activity Coefficient Model,” U.S. Patent No.

8,370,076, February 5, 2013.

4. C.-C. Chen, Y. Song, “Methods of Modeling Physical Properties of Chemical Mixtures and

Articles of Use,” U.S. Patent No. 8,346,525 B2, January 1, 2013.

5. H. Xiang, S. Anavi, C.-C. Chen, “Systems and Methods for Modeling of Crystallization

Processes,” U.S. Patent No. 8,315,842, November 20, 2012.

6. C.-C. Chen, “Computer Method and System for Predicting Physical Properties Using a

Conceptual Segment,” C.N. Patent No. 101310282A, April 25, 2012

7. S. Wang, Y. Song, C.-C. Chen, “Extension of COSMO-SAC Solvation Model for

Electrolytes,” European Patent Application No.: 11773157.0-1951, Date of Filing: December

10, 2011. Priority: US/13.10.10/USP 392549.

8. S. Wang, Y. Song, C.-C. Chen, “Extension of COSMO-SAC Solvation Model for

Electrolytes,” US Patent Application No.: 20120095736, April 19, 2012.


Conceptual Segment Model,” U.S. Patent No. 8,082,136, December 20, 2011.


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Conceptual Segment Model,” US Patent Application No.: 20110257947, October 20, 2011.


Conceptual Segment Model,” U.S. Patent No. 7,941,277, May 10, 2011.

12. C.-C. Chen, Y. Song, “Computer Method and System for Predicting Physical Properties

Using a Conceptual Segment-Based Ionic Activity Coefficient Model,” U.S. Patent No.

7,809,540 B2, October 5, 2010.

13. C.-C. Chen, Y. Song, “Methods of Modeling Physical Properties of Chemical Mixtures and

Article of Use,” U.S. Patent No. 7,672,826 B2, March 2, 2010.

14. L. Zong, S. Ramanathan, C.-C. Chen, “System and Method of Modeling Mono-Glycerides,

Di-Glycerides and Triglycerides in Biodiesel Feedstock,” European Patent Office

Application No. 10719478.9-2104 PCT/US2010032069, April 22, 2010.

15. L. Zong, S. Ramanathan, C.-C. Chen, “System and Method of Modeling Triglycerides in

Biodiesel Feedstock,” US Patent Application No.: 20100280810 A1, November 2010.


Conceptual Segment Model,” European Patent Application No.: 06804184.7-1225,

PCT/US2006/037601, Priority US/30.09.05/USA 241675, September 28, 2006.

17. S. Treiber, S. Gorpade, A. Sirohi, S. Ramanathan, S. Lingard, C.-C. Chen, “Computer

Method and Apparatus for Determining State of Physical Properties in a Chemical Process,”

U.S. Patent No. 6,862,562, March 1, 2005.

18. S. Treiber, R. McLeod, A. Kalafatis, S. Ramanathan, S. Lingard, C.-C. Chen, “Computer

Method and Apparatus for Optimized Controller in a Non-Linear Process,” U.S. Patent No.

6,654,649, November 25, 2003.

19. A.E. Hamielec, M. Osias, S. Ramanathan, A. Sirohi, C.-C. Chen, “Polymer Property

Distribution Functions Methodology and Simulators,” Japan Patent Pending, Attorney’s

Docket No.: 1086.1006-004.

20. A.E. Hamielec, M. Osias, S. Ramanathan, A. Sirohi, C.-C. Chen, “Property Distribution

Functions Methodology and Simulators,” European Patent No. 1070281, July 3, 2002.

21. A.E. Hamielec, M. Osias, S. Ramanathan, A. Sirohi, C.-C. Chen, “Polymer Property

Distribution Functions Methodology and Simulators,” U.S. Patent No. 6,093,211, July 25,

2000.

22. M. Barrera, G. Ko, M. Osias, S. Ramanthan, D.A. Tremblay, C.-C. Chen, “Polymer

Component Characterization Method and Process Simulation Apparatus,” U.S. Patent No.

5,687,090, November 11, 1997.

Books

1. Thermophysical Properties for Industrial Process Design, co-editor with T. Selover, AIChE

Symposium Series No. 298 (1994)

Refereed Journal Articles

1. Y. Zhang, C.-C. Chen, “Modeling CO2 Absorption and Desorption by Aqueous

Monoethanolamine Solution with Aspen Rate-Based Model,” Energy Procedia, in press,

2013

2. E. Sheikholeslamzadeh, C.-C. Chen, S. Rohani “Optimal Solvent Screening for the

Chau-Chyun Chen

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Crystallization of Pharmaceutical Molecules from Multi-Solvent Systems,” Industrial &

Engineering Chemistry Research, 51, 13792-13802 (2012)

3. B. Hanley, C.-C. Chen, “Useful Mass Transfer Correlations for Packed Towers,” AIChE

Journal, 58, 132-152 and 2290-2293 (2012); 6 citations

4. Y. Zhang, H. Que, C.-C. Chen, “Thermodynamic Modeling of CO2 Absorption in Aqueous

MEA Solution with Electrolyte NRTL Model,” Fluid Phase Equilibria, 311, 68-76 (2011); 3

citations

5. H. Que, C.-C. Chen, “Thermodynamic Modeling of the NH3-CO2-H2O System with

Electrolyte NRTL Model,” Industrial & Engineering Chemistry Research, 50, 11406-11421

(2011); 4 citations

6. M.D. Meixell, Jr., B. Gochenour, C.-C. Chen, “Industrial Applications of Plant-Wide

Equation-Oriented Process Modeling - 2010,” Advances in Chemical Engineering, 40, 119-

152 (2011)

7. L. Zong, C.-C. Chen, “Thermodynamic Modeling of CO2 and H2S Solubilities in Aqueous

DIPA Solution, Aqueous Sulfolane-DIPA Solution, and Aqueous Sulfolane-MDEA Solution

with Electrolyte NRTL Model,” Fluid Phase Equilibria, 306, 190-203 (2011); 2 citations

8. Y. Yan, C.-C. Chen, “Thermodynamic Representation of the NaCl-Na2SO4-H2O System with

Electrolyte NRTL Model,” Fluid Phase Equilibria, 306, 149-161 (2011)

9. H. Que, Y. Song, C.-C. Chen, “Thermodynamic Modeling of the Sulfuric Acid-Water-Sulfur

Trioxide System with the Symmetric Electrolyte NRTL Model,” Journal of Chemical and

Engineering Data, 56, 963-977 (2011); 6 citations

10. Y. Zhang, “Modeling Gas Solubilities in Aqueous Methyldiethanolamine Solution,”

Industrial & Engineering Chemistry Research, 50, 6436-6446 (2011); 3 citations

11. S. Wang, Y. Song, C.-C. Chen, “Extension of COSMO-SAC Solvation Method for

Electrolytes,” Industrial & Engineering Chemistry Research, 50, 176-187 (2011); 2 citations

12. Y. Zhang, C.-C. Chen, “Thermodynamic Modeling of CO2 Absorption in Aqueous

Methyldiethanolamine Solution with Electrolyte NRTL Model,” Industrial & Engineering

Chemistry Research, 50, 163-175 (2011); 14 citations

13. Y. Yan, C.-C. Chen, “Thermodynamic Modeling of CO2 Solubility in Aqueous Solutions of

NaCl and Na2SO4,” Journal of Supercritical Fluids, 55, 623-634 (2010); 5 citations

14. L. Zong, S. Ramanathan, C.-C. Chen, “Predicting Thermophysical Properties of Mono- and

Diglycerides with the Chemical Constituent Fragment Approach,” Industrial & Engineering


15. L. Zong, S. Ramanathan, C.-C. Chen, “Fragment-Based Approach for Estimating

Thermophysical Properties of Fats & Vegetable Oils for Modeling Biodiesel Production

Processes,” Industrial & Engineering Chemistry Research, 49, 876-886 and 3022-3023

(2010); 6 citations

16. Y. Zhang, H. Chen, J. Plaza, R. Dugas, G. Rochelle, C.-C. Chen, “Rate-Based Process

Modeling Study of CO2 Capture with Aqueous MEA Solution,” Industrial & Engineering


17. Y. Song, C.-C. Chen, “Symmetric Electrolyte Nonrandom Two-Liquid Activity Coefficient

Model,” Industrial & Engineering Chemistry Research, 48, 7788-7797 (2009); 25 citations

18. Y. Song, C.-C. Chen, “Symmetric Nonrandom Two-Liquid Segment Activity Coefficient

Model for Electrolytes,” Industrial & Engineering Chemistry Research, 48, 5522-5529

(2009); 3 citations

19. S. Wang, S. Watanasiri, S.-T. Lin, C.-C. Chen, “Use of GAMESS/COSMO Program in

Chau-Chyun Chen

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Support of COSMO-SAC Model Applications in Phase Equilibrium Prediction Calculations,”

Fluid Phase Equilibria, 276, 38-46 (2009); 6 citations

20. L.D. Simoni, J.F. Brennecke, M.A. Stadtherr, C.-C. Chen, “Correlation and Prediction of

Phase Behavior of Organic Compounds in Ionic Liquids Using NRTL-SAC,” Industrial &

Engineering Chemistry Research, 47, 7081-7093 (2008); 14 citations

21. G.M. Bollas, C.-C. Chen, P.I. Barton, “Refined Electrolyte-NRTL Model: Activity

Coefficient Expressions for Application to Multi-Electrolyte Systems,” AIChE Journal, 54,

1608-1624 (2008); 15 citations

22. P.B. Kokikar, E. Plocharczyk, C.-C. Chen, “Modeling Drug Molecule Solubility to Identify

Optimal Solvent Systems for Crystallization,” Organic Process Research & Development, 12,

249-256 (2008); 9 citations

23. H.-H. Tung, J. Tabora, N. Variankaval, D. Bakken, C.-C. Chen, “Prediction of

Pharmaceutical Solubility via NRTL-SAC and COSMO-SAC,” Journal of Pharmaceutical

Sciences, 97, 1813-1820 (2008); 21 citations

24. S. Wang, C.-C. Chen, S.I. Sandler, “Refinement of COSMO-SAC and the Applications,”


25. C.-C. Chen, P.A. Crafts, “Correlation and Prediction of Drug Molecule Solubility in Mixed

Solvent Systems with the Non-Random Two-Liquid Segment Activity Coefficient (NRTL-

SAC) Model,” Industrial & Engineering Chemistry Research, 45, 4816-4824 (2006); 35

citations

26. C.-C. Chen, P.A. Crafts, “Correlation and Prediction of Drug Molecule Solubility with the

NRTL-SAC Model,” Computer Aided Chemical Engineering, 21, Part 1, 859-864 (2006)

27. E. Mullins, R. Oldland, Y.A. Liu, S. Wang, S.I. Sandler, M. Zwolak, K.C. Seavey, C.-C.

Chen, “Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods,”


28. C.-C. Chen, “Toward Development of Activity Coefficient Models for Process and Product

Design of Complex Chemical Systems,” Fluid Phase Equilibria, 241, 103-112 (2006); 15

citations

29. C.-C. Chen, Y. Song, “Extension of NonRandom Two-Liquid Segment Activity Coefficient

Model for Electrolytes,” Industrial & Engineering Chemistry Research, 44, 8909-8921

(2005); 15 citations

30. C.-C. Chen, Y. Song, “Solubility Modeling with NonRandom Two-Liquid Segment Activity

Coefficient Model,” Industrial & Engineering Chemistry Research, 43, 8354-8362 (2004);

46 citations

31. L.T. Novak, Y. Song, C.-C. Chen, “Segment-Based Eyring-NRTL Viscosity Model for

Mixtures Containing Polymers,” Industrial & Engineering Chemistry Research, 43, 6231-

6237 (2004); 29 citations

32. K.C. Seavey, Y.A. Liu, T. Lee, N.P. Khare, B. Lucas, J. Pettrey, T.N. Williams, J. Mattson,

C. Larkin, E. Schoenborn, C.-C. Chen, “New Mass-Transfer Model for Simulating Industrial

Nylon-6 Production Trains,” Industrial & Engineering Chemistry Research, 43, 5063-5076

(2004); 4 citations

33. Y. Song, C.-C. Chen, “Generalized Electrolyte NRTL Model for Mixed-Solvent Electrolyte

Systems,” AIChE Journal, 50, 1928-1941 (2004); 37 citations

34. N.P. Khare, B. Lucas, K.C. Seavey, Y.A. Liu, A. Sirohi, S. Ramanathan, Y. Song, S.

Lingard, C.-C. Chen, “Steady State and Dynamic Modeling of Gas-Phase Polypropylene

Processes Using Stirred-Bed Reactors,” Industrial & Engineering Chemistry Research, 43,

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884-900 (2004); 26 citations

35. K.C. Seavey, N.P. Khare, Y.A. Liu, T. Bremner, C.-C. Chen, “Quantifying Relationships

among Molecular Weight Distribution, Non-Newtonian Shear Viscosity, & Melt Index for

Linear Polymers,” Industrial & Engineering Chemistry Research, 42, 5354-5362 (2003); 13

citations

36. K.C. Seavey, N.P. Khare, Y.A. Liu, T.N. Williams, C.-C. Chen, “A New Phase-Equilibrium

Model for Simulating Nylon-6 Polymerization Processes,” Industrial & Engineering


37. Y. Song, P.M. Mathias, D.A. Tremblay, C.-C. Chen, “Liquid Viscosity Model for Polymer

Solutions and Mixtures,” Industrial & Engineering Chemistry Research, 42, 2415-2422


38. S. Behme, G. Sadowski, Y. Song, C.-C. Chen, “A Multicomponent Flash Algorithm for

Mixtures Containing Polydisperse Polymers,” AIChE Journal, 49, 258-268 (2003); 13

citations

39. N.P. Khare, K.C. Seavey, Y.A. Liu, S. Ramanathan, S. Lingard, C.-C. Chen, “Steady-State

and Dynamic Modeling of Commercial Slurry High-Density Polyethylene (HDPE)

Processes,” Industrial & Engineering Chemistry Research, 41, 5601-5618 (2002); 30

citations

40. P.M. Mathias, N. Orbey, C.-C. Chen, “Hasan Orbey-An Exceptional Applied

Thermodynamicist and A Special Friend,” Industrial & Engineering Chemistry Research, 41,

5, 885-886 (2002)

41. E. L. Cheluget, C. P. Bokis, L. Wardhaugh, J. Fisher, C.-C. Chen, “Modeling Polyethylene

Fractionation Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of

State,” Industrial & Engineering Chemistry Research, 41, 968-988 (2002); 26 citations

42. C.-C. Chen, P.M. Mathias, Applied Thermodynamics for Process Modeling, AIChE Journal,

48, 194-200 (2002); 44 citations

43. C.-C. Chen, C.P. Bokis, P.M. Mathias, “Segment-Based Excess Gibbs Energy Model for

Aqueous Organic Electrolyte Systems,” AIChE Journal, 47, 2593-2602 (2001); 18 citations

44. C.-C. Chen, P.M. Mathias, H. Orbey, “Use of Hydration and Dissociation Chemistries with

the Electrolyte NRTL Model,” AIChE Journal, 45, 1576-1586 (1999); 36 citations

45. C.P. Bokis, H. Orbey, C.-C. Chen, “A Segment Contribution Method for the Vapor Pressure

of Tall-Oil Chemicals,” Fluid Phase Equilibria, 155, 193-203 (1999); 10 citations

46. C.P. Bokis, H. Orbey, C.-C. Chen, “Properly Model Polymer Processes,” Chemical

Engineering Progress, 95, 39-52 (1999); 20 citations

47. H. Orbey, C.P. Bokis, C.-C. Chen, “Equation of State Modeling of Phase Equilibrium in the

Low-Density Polyethylene Process: The Sanchez-Lacombe, Statistical Associating Fluid

Theory, and Polymer-Soave-Redlich-Kwong Equations of State,” Industrial & Engineering


48. H. Orbey, C.P. Bokis, C.-C. Chen, “An Extension of Cubic Equations of State to Vapor-

Liquid Equilibria in Polymer-Solvent Mixtures,” Fluid Phase Equilibria, 145, 169-192


49. H. Orbey, C.P. Bokis, C.-C. Chen, “Polymer-Solvent Vapor-Liquid Equilibrium: Equations

of State versus Activity Coefficient Models,” Industrial & Engineering Chemistry Research,

37, 1567-1573 (1998); 24 citations

50. C.-C. Chen, Molecular Thermodynamic Model for Gibbs Energy of Mixing of Nonionic

Surfactant Solutions, AIChE Journal, 42, 3231-3240 (1996); 15 citations

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51. J. King, D.I.C. Wang, C.-C. Chen, “A Molecular Thermodynamic Model for Helix-Helix

Docking and Protein Aggregation,” AIChE Journal, 41, 1015-1024 (1995); 12 citations

52. C.-C. Chen, “A Segment-Based Local Composition Model for the Gibbs Energy of Polymer

Solutions,” Fluid Phase Equilibria, 83, 301-312 (1993); 115 citations

53. C.-C. Chen, Y. Zhu, J. King, L.B. Evans, “Molecular Thermodynamic Model to Predict the

-Helical Secondary Structure of Polypeptides Chains in Solution,” Biochemistry, 31, 10591-

10601 (1992); 9 citations

54. C.-C. Chen, Y. Zhu, J. King, L.B. Evans “A Molecular Thermodynamic Approach to Predict

the Secondary Structure of Homo-polypeptides in Aqueous Systems,” Biopolymers, 32,

1375-1392 (1992); 24 citations

55. G.H. Ko, M.M. Osias, D.T. Tremblay, M.D. Barrera, C.-C. Chen, “Process Simulation in

Polymer Manufacturing,” Computers & Chemical Engineering, 16, S481-S490 (1992)

56. I. Farag, P.C. Wu, J.B. Rosen, C.-C. Chen, “Modeling Pollution Prevention,” ChemTech, 22,

54-62 (1992); 2 citations

57. D. Austgen, G.T. Rochelle, C.-C. Chen, “Model of Vapor-Liquid Equilibria for Aqueous

Acid Gas-Alkanolamine Systems. II. Representation of H2S and CO2 Solubility in Aqueous

MDEA with MEA or DEA,” Industrial & Chemical Engineering Research, 30, 543-555


58. Y. Zhu, L.B. Evans, C.-C. Chen, “Representation of Phase Equilibrium Behavior of

Antibiotics,” Biotechnology Progress, 6, 266-272 (1990); 16 citations

59. M. Modell, P. Evanich, S. Anavi, J. Mai, C.-C. Chen, “The Role of Computerized Modeling

and Simulation in the Development of Life-Support System Technologies,” Advances in

Space Research, 9, 121-131 (1989)

60. Y. Zhu, L.B. Evans, C.-C. Chen, “Phase Partitioning of Biomolecules: Solubilities of Amino

Acids,” Biotechnology Progress, 5, 111-118 (1989); 60 citations

61. D. Austgen, G.T. Rochelle, P. Xiao, C.-C. Chen, “A Model of Vapor-Liquid Equilibria in the

Aqueous Acid Gas-Alkanolamine System Using the Electrolyte NRTL Equation,” Industrial

& Chemical Engineering Research, 28, 1060-1073 (1989); 165 citations

62. C.-C. Chen, “Some Recent Developments in Process Simulation for Reactive Chemical

Systems,” Pure & Applied Chemistry, 59, 1177-1188 (1987); 4 citations

63. B. Mock, L.B. Evans, C.-C. Chen, “Thermodynamic Representation of Phase Equilibria in

Mixed-Solvent Electrolyte Systems,” AIChE Journal, 32, 1655-1664 (1986); 218 citations

64. C.-C. Chen, “Representation of Solid-Liquid Equilibrium of Aqueous Electrolyte Systems

with the Electrolyte NRTL Model,” Fluid Phase Equilibria, 27, 457-474 (1986); 22 citations

65. C.-C. Chen, L.B. Evans, “Local Composition Model for the Excess Gibbs Energy of

Aqueous Electrolyte Systems,” AIChE Journal, 32, 444-454 (1986); 413 citations

66. C.-C. Chen, L.B. Evans, J.F. Floess, L. Fong, J.P. Longwell, “Modeling of an Oil Shale

Fluidized-Bed Retarding Process Using ASPEN,” Energy Progress, 2, 147-150 (1982)

67. C.-C. Chen, J.F. Boston, H.I. Britt, L.B. Evans, “Local Composition Model for the Excess

Gibbs Energy of Electrolyte Systems - Part I: Single Solvent, Single Completely Dissociated

Electrolyte Systems,” AIChE Journal, 23, 588-596 (1982); 431 citations

68. C.-C. Chen, J.F. Boston, H.I. Britt, L.B. Evans, “Extension and Application of the Pitzer

Equation for Vapor-Liquid Equilibrium of Aqueous Electrolyte Systems with Molecular

Solutes,” AIChE Journal, 25, 820-831 (1979); 93 citations

69. B.A. Solomon, C.K. Colton, C.-C. Chen, “Immobilization of Acetate Kinase on Functional

Solid-core Polymeric Beads,” Enzyme Engineering, 4, 105-108 (1978)

Chau-Chyun Chen

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Non-Refereed Journal Articles

1. C.-C. Chen, “Solubility: Are You Flying Blind?,” Pharmaceutical Manufacturing, page 30-

32, October 2009

2. C.-C. Chen, “An Industry Perspective on Polymer Process Modeling,” CAST

Communications, Summer 2002

3. V.V. de Leeuw, C.-C. Chen, “Fluid Phase Equilibria in Polymer Systems,” Entropie,

212/213, 57-64 (1998)

4. T.L. Mock, D.A. Tremblay, C.-C. Chen, “Process Modeling to Optimize PET Plants,”

Chemical Fibers International, 45, 208-215 (1995)

5. I.H. Farag, P.W. Gallier, C.-C. Chen, “Addressing Hazardous Waste Incineration by

Simulation,” Petrochemicals and Refining, page 12-16, July 1992

6. I.H. Farag, I. Gosling, R.P. Field, C.-C. Chen, “Simulating Wastewater Treatment

Processes,” The Chemical Engineer, 481, 31-38 (1990)

7. C.-C. Chen, S.C. Moore, T.M. Piper, “Computer Simulation of An Existing Ammonia Plant,”

Ammonia Plant Safety, 26, 56-62 (1986)

8. C.-C. Chen, J.F. Boston, T.J. Galloway, K.Y. Lee, B. Mock, “Bayer Process Simulation by

ASPEN,” Light Metals, 295-312 (1983)

9. P.W. Gallier, C.-C. Chen, H.I. Britt, L.B. Evans, “ASPEN: Advanced System for Process

Engineering,” Perspectives in Computing, 1, 43-49 (1981)

10. C.-C. Chen, L.B. Evans, “More Computer Programs for Chemical Engineers,” Chemical

Engineering, page 167-173, May 21, 1979

11. C.-C. Chen, J.N. Peterson, L.B. Evans, “Computer Programs for Chemical Engineers: 1978,

Part 1,” Chemical Engineering, page 145-154, June 5, 1978; 4 citations


Part 2,” Chemical Engineering, page 69-84, July 3, 1978 ; 5 citations


Part 3,” Chemical Engineering, page 79-86, July 31, 1978


Part 4,” Chemical Engineering, page 107-115, August 28, 1978; 3 citations

Book Chapters

1. C.-C. Chen, “Molecular Thermodynamics for Pharmaceutical Process Modeling and

Simulation,” Chemical Engineering in Pharmaceutical Industry: R&D to Manufacturing, D.J.

Am Ende (editor), John Wiley & Sons, 505-519 (2011)

2. C.-C. Chen, S. Watanasiri, P. Mathias, V. de Leeuw, “Economic Value of Thermodynamics

in Industry and Major Unmet Needs of Aspen Clients,” Chemical Thermodynamics for

Industry, T. Letcher, editor, Royal Society of Chemistry, Cambridge, U.K. (2004)

3. C.-C. Chen, K.-D. Hungenberg, F. Zhang, M. Wulkow, G. Stubbe, U. Nieken, “Design of

Polymer Processes Using the Coupling of Commercial Simulation Packages Polymers Plus

and PREDICI,” Dechema-Monographien Band, 137, 237-245 (2001)

4. S. Ramanathan, M. Barrera, M. Osias, G. Ko, C.-C. Chen, “Dynamic Flowsheet Simulation

of Polymer Manufacturing Plants,” Dechema-Monographien Band, 127, 123-132 (1992)

Chau-Chyun Chen

11

5. C.-C. Chen, J.F. Boston, H.I. Britt, W.M. Clarke, “Thermodynamic Property Evaluation in

Computerized Process Design Scheme for Aqueous Electrolyte Systems,” AIChE Symposium

Series, No. 229, v.79, 126-134 (1983)

6. C.-C. Chen, J.F. Boston, H.I. Britt, L.B. Evans, “Application of the Extended Pitzer Equation

and the Local Composition Model to the Vapor-Liquid Equilibrium of the NH3-CO2-H2S-

H2O System,” ACS Symposium Series Supplement, 133, 77-98 (1980)

7. C.-C. Chen, J.F. Boston, H.I. Britt, L.B. Evans, “Two New Activity Coefficient Models for

the Vapor-Liquid Equilibrium of Electrolyte Systems,” ACS Symposium Series, 133, 61-89

(1980)

Conference Proceedings

1. L. Zong, C.-C. Chen, “Development of a Segment-Based DEPG Physical Solvent Model for

CO2 Capture Processes,” Proceedings of 35th International Technical Conference on Coal

Utilization & Fuel Systems (“The Clearwater Coal Conference”), Clearwater, Florida, June

6-10, 2010

2. C.-C. Chen, Y. Song, D.A. Tremblay, C. Bhat, “A Rate-Based Process Modeling Study of

CO2 Capture with Aqueous Amine Solutions Using aspenONE Process Engineering,”

Proceedings 33rd International Technical Conference on Coal Utilization & Fuel Systems

(“The Clearwater Coal Conference”), Clearwater, Florida, June 1-5, 2008

3. C.-C. Chen, P.A. Crafts, “Correlation and Prediction of Drug Molecule Solubility with the

NRTL-SAC Model,” Proceedings of 16th European Symposium on Computer Aided Process

Engineering and 9th International Symposium on Process Systems Engineering, 859-864

(2006)

4. C.-C. Chen, S. Oba, T. Suzuki, S. Anavi, H. Chen, J.-J. Peng, H.-L. Li, “RateSep – A New

and Innovative Rate-Based Distillation Model for Amine Acid Gas Treating Processes,”

Proceedings of 4th International Symposium on Molecular Thermodynamics and Molecular

Simulation, Chiba, Japan, May 23-25, 2006

5. C.-C. Chen, H.-H. Tung, N. Variankaval, J. Tabora, D. Bakken, “Prediction of

Pharmaceuticals Solubility via NRTL-SAC and COSMO-SAC,” Proceedings of 16th

International Symposium on Industrial Crystallization, Dresden, Germany, September 11-14,

2005 (VDI Berichte, Issue 1901 I, 2005, Article number A-47, Pages 271-276)

6. C.-C. Chen, H.I. Britt, V. Mahalec, A. McBrien “Modeling and Simulation in 2004: An

Industrial Perspective,” Proceedings of FOCAPD 2004, Sixth International Conference on

Foundations of Computer Aided Process Design, 55-68 (2004)

7. C.-C. Chen, S. Oba, P.M. Mathias, and Y. Song, “Phase Equilibrium Predictions and

Applications with COSMO Solvation Models,” Proceedings of 3rd International Symposium

on Molecular Thermodynamics and Molecular Simulation, Sendai, Japan, May 27-30, 2003

8. P.M. Mathias, M. Walters, C.-C. Chen, “Modeling the Complex Chemical Reactions and

Mass Transfer in a Phosphoric Acid Reactor,” Proceedings of 3rd Joint China/USA Chemical

Engineering Conference, 04-218 – 04-225 (2000)

9. C.-C. Chen, C.P. Bokis, E. Cheluget, J. Fisher, L. Wardhaugh, “Modeling Polyethylene

Fractionation Using the Statistical Associating Fluid Theory,” Proceedings of 3rd Joint

China/USA Chemical Engineering Conference, 05-032 – 05-041 (2000)

10. C.-C. Chen, B. Mock, L.B. Evans, “Phase Equilibria in Multiple-Solvent Electrolyte

Systems: A New Thermodynamic Model,” Proceedings of 1984 Summer Computer

Chau-Chyun Chen

12

Simulation Conference, 558-562 (1984)

11. C.-C. Chen, J.F. Boston, H.I. Britt, “Process Simulation of Electrolyte Systems,” Proceedings

of 1984 Summer Computer Simulation Conference, 552-557 (1984)

12. P.W. Gallier, J.F. Boston, H.I. Britt, L.B. Evans, C.-C. Chen, “New Capabilities in ASPEN

PLUS,” Proceedings of the Systems Simulation Symposium of Fossil Fuel Conversion

Processes, 57-68 (1984)

13. P.W. Gallier, H.I. Britt, L.B. Evans, C.-C. Chen, “ASPEN PLUS, the Process Simulator,”

Proceedings of Summer 1982 Simulation Conference, 473-478 (1982)

Invited Lectures

1. Invited lecture at Seventh Joint China/USA Chemical Engineering Conference, Beijing,

China, October 14-18, 2013

2. Molecular Thermodynamics and Process Modeling Technology for Energy and the

Environment, Maddox Distinguished Lecture Series, Texas Tech University, Lubbock,

Texas, September 25, 2012

3. Molecular Thermodynamics and Process Modeling Technology for Energy and the

Environment, Graduate Student Lecture, Department of Chemical Engineering, Ohio State

University, Columbus, Ohio, September 13, 2012

4. Clean Energy Opportunities in Low Carbon Economy, presented at University Centennial

Industry Day Forum, Department of Chemical Engineering, National Tsing-Hua University,

Hsinchu, Taiwan, April 15, 2011

5. Process Modeling and Simulation for Energy and the Environment: An Industry Perspective,

Shenghau NICE Advisory Board Meeting, Pasadena, California, February 24-26, 2011

6. Integrated, High Fidelity, Multiscale Process Models for the Process Industries, presented at

the topical conference on Simulation-Based Engineering and Science, AIChE Annual

Meeting, Salt Lake City, Utah, November 7-12, 2010

7. Opportunities and Challenges in Process Simulation and Applied Thermodynamics, invited

keynote lecture at the 13th Asian Pacific Confederation of Chemical Engineering Congress

(APCChE 2010), Taipei, Taiwan, Oct 6-8, 2010

8. Advances in Molecular Thermodynamics for Correlation and Prediction of Drug Molecule

Solubility, invited Chemical Engineering Colloquium lecture at University of Kentucky,

Department of Chemical Engineering, April 28, 2010

9. Process Modeling for the Changing World: From CO2 Capture to Drug Molecule Solubility,

invited Purdue School of Chemical Engineering Graduation Student Organization Seminar,

Purdue University, April 6, 2010

10. Molecular Thermodynamics for Pharmaceutical Product and Process Development, invited

lecture presentation at Fifth Joint China/USA Chemical Engineering Conference, Beijing,

China, October 13-16, 2009

11. Process Modeling and Simulation for Energy, the Environment and Medicine – An Industry

Perspective, Invited keynote lecture presentation at Process Design Symposium, 8th World

Congress of Chemical Engineering, Montreal, Quebec, Canada, August 23-27, 2009

12. A Journey of Learning in Process Modeling and Simulation, EPISTAR lecture presentation

at Chemical Engineering Department, National Tsinghua University, Taiwan, April 10, 2009

Chau-Chyun Chen

13

13. Applied Thermodynamics for Process Modeling: History, Applications, Challenges and

Opportunities, EPISTAR lecture presentation at Chemical Engineering Department, National

Tsinghua University, Taiwan, April 8, 2009

14. Process Modeling and Simulation for Medicine, Energy and the Environment: A Focus on

Modeling CO2 Capture Processes, EPISTAR lecture presentation at Chemical Engineering

Department, National Tsinghua University, Taiwan, April 7, 2009

15. Recent Advances in Correlation and Prediction of Drug Molecule Solubilities, Invited

Chemical Engineering Colloquium Lecture at Chemical Engineering Department, Worcester

Polytechnic Institute, Worcester, Massachusetts, March 12, 2009

16. Process Modeling and Simulation for Energy, the Environment and Medicine – An Industry

Perspective, Invited Chemical Engineering Colloquium Lecture at Chemical Engineering

Department, University of Texas, Austin, Texas, February 17, 2009

17. Recent Application Successes and Technology Advances in Process Modeling and Simulation

for Product and Process Development, paper presented at the PSE China Conference,

Shanghai, China, September 19-21, 2008

18. Recent Advances in Modeling and Simulation for Product and Process Development,

presented at the Chemical Engineering Department, Zhejiang University, Hangzhou, China,

May 26, 2008

19. Recent Advances in Modeling and Simulation for Product and Process Development,

presented at the Chemical Engineering Department, National Taiwan University, Taipei,

Taiwan, April 3, 2008

20. A Rate-Based Process Modeling Study of CO2 Capture with Aspen RateSep, Invited Lecture

at McMaster University, Department of Chemical Engineering, Hamilton, Ontario, Canada,

February 5, 2008

21. A Rate-Based Process Modeling Study of CO2 Capture with Aqueous MEA, MDEA and

Activated TEA Solutions, paper presented at the Chemical Engineering Department,

Massachusetts Institute of Technology, Cambridge, Massachusetts, November 27, 2007

22. High Impact Opportunities in Simulation-Based Product and Process Development, paper

presented at the U.S. Baseline Workshop on Simulation Based Engineering & Science,

Arlington, VA, November 1-2, 2007

23. Recent Advances in Modeling and Simulation for Product and Process Development, paper

presented at the PSE China Conference, Xian, China, August 15-18, 2007

24. Modeling and Simulation for Pharmaceutical Product and Process Development, with Bernard

McGarvey, paper presented at the Workshop on Modeling Challenges in Process Development:

Approaches in the Chemical and Pharmaceutical Industries, the Council for Chemical Research,

University of Maryland Biotechnology Institute, Rockville, MD, June 7-8, 2007. 25. Correlation and Prediction of Drug Molecule Solubility – Building the Molecular

Thermodynamic Foundation for Pharmaceutical Process Modeling, invited lecture at

University of Notre Dame, Department of Chemical Engineering, South Bend, IN, March 21,

2007

26. Correlation and Prediction of Drug Molecule Solubility – Building the Molecular

Thermodynamic Foundation for Pharmaceutical Process Modeling, Invited Chemical

Engineering Colloquium Lecture at McMaster University, Department of Chemical

Engineering, Hamilton, Ontario, Canada, March 8, 2007

27. Correlation and Prediction of Drug Molecule Solubility with Molecular Thermodynamic

Models – Building the Scientific Foundation for Pharmaceutical Process Modeling, invited

Chau-Chyun Chen

14

lecture at National Taiwan University, Department of Chemistry, Taipei, Taiwan, November

2, 2006

28. Correlation and Prediction of Drug Molecule Solubility with Molecular Thermodynamic

Models: Building the Scientific Foundation for Pharmaceutical Process Modeling, Invited

Chemical Engineering Colloquium Lecture at Virginia Polytechnic Institute and State

University, Department of Chemical Engineering, Blacksburg, VA, October 23, 2006

29. Modeling and Simulation in 2004: An Industrial Perspective, with H. Britt, V. Mahalec, and

A. McBrien, paper presented at FOCAPD 2004 (Foundations of Computer Aided Process

Design), Princeton, NJ, July 11-16, 2004

30. Polymer Process Modeling, paper presented at BASF Symposium on Modeling and

Simulation for Polymer Product and Process Development,” Ludwigshafen, Germany, May

1997

31. A Molecular Thermodynamic Model for Gibbs Energy of Mixing of Nonionic Surfactant

Solutions, paper presented at the 7th Congress of Asian Pacific Confederation of Chemical

Engineers, Taipei, Taiwan, March 1996

32. An Industrial Experience with Molecular Thermodynamics for Electrolyte Systems, invited

Chemical Engineering Colloquia lecture at University of California at Berkeley, Department

of Chemical Engineering, May 7, 1990

33. Industrial Applications of Process Simulators, invited lecture at the Taipei International

Chemical Industrial Show Conference, Taipei, Taiwan, August 25-30, 1989

34. Some Recent Developments in Process Simulation for Reactive Chemical Systems, invited

lecture at 8th International Symposium on Solute-Solute-Solvent Interactions, Regensburg,

Germany, 1987

Contributed Conference Presentations

1. Molecule-Based Assay Characterization Methodology for Correlation and Prediction of

Properties for Crude Oil and Petroleum Fraction, to be presented at the Properties and Phase

Equilibria for Product and Process Design 2013 Conference, Iguazu Falls, Argentina –

Brazil, May 26-30, 2013

2. Molecular Based Assays for Practical Correlation and Prediction of Crude Oil and

Petroleum Fraction Properties, to be presented at the 2013 AIChE Spring Meeting and 9th

Global Congress on Process Safety, San Antonio, Texas, April 28-May 2, 2013

3. Rate-Based Modeling of CO2 Capture Pilot Plant with Aqueous Monoethanolamine Solution,

11th International Conference on Greenhouse Gas Control Technologies (GHGT-11), Kyoto,

Japan, November 18-22, 2012

4. Rate-Based Modeling of CO2 Absorption and Desorption into Aqueous Monoethanolamine

Solutions, AIChE Annual Meeting, Pittsburgh, Pennsylvania, October 28-November 2, 2012

5. AspenTech – Leading the Understanding of Modeling CO2 Capture, presented at AspenTech

Global Conference, Washington D.C., May 23-25, 2011

6. Opportunities, Challenges and Advances in Process Simulation and Applied

Thermodynamics, presented at AIChE Annual Meeting, Salt Lake City, Utah, November 7-

12, 2010

7. Extension of COSMO-SAC Solvation Model for Electrolytes, with S. Wang and Y. Song,

presented at the AIChE Annual Meeting, Salt Lake City, Utah, November 7-12, 2010

Chau-Chyun Chen

15

8. Development of a Segment-Based DEPG Physical Solvent Model for CO2 Capture Processes,

presented at the 35th International Technical Conference on Coal Utilization & Fuel Systems

(“The Clearwater Coal Conference”), Clearwater, Florida, June 6-10, 2010

9. Development of an Aspen Plus Model for Scaling Prediction, with C. Yan, presented at the

Properties and Phase Equilibria for Product and Process Design 2010 Conference, Suzhou,

China, May 16-21, 2010

10. Electrolyte NRTL Model for Thermodynamic Representation of CO2 Absorption in Aqueous

Monoethanolamine and 2-Amino-2-methyl-1-propanol Solutions, with Y. Zhang, presented at

the Properties and Phase Equilibria for Product and Process Design 2010 Conference,

Suzhou, China, May 16-21, 2010

11. Development of a DEPG-Based CO2 Capture Process Model, with L. Zong, presented at the

Properties and Phase Equilibria for Product and Process Design 2010 Conference, Suzhou,

China, May 16-21, 2010

12. Novel Approach for Estimating Thermophysical Properties of Lignocellulosic Biomass for

Process Modeling and Simulation, with X.-F. Chang, presented at the Properties and Phase

Equilibria for Product and Process Design 2010 Conference, Suzhou, China, May 16-21,

2010

13. Thermodynamic Modeling of the Sulfuric Acid-Water-Sulfur Trioxide System with Symmetric

Electrolyte NRTL Model, with H.-L. Que, presented at the Properties and Phase Equilibria for

Product and Process Design 2010 Conference, Suzhou, China, May 16-21, 2010

14. Thermodynamic Modeling of the Sulfuric Acid-Water-Sulfur Trioxide System with the

Symmetric Electrolyte NRTL Model, paper presented at the AIChE Annual Meeting,

Nashville, TN., November 8-13, 2009

15. Modeling and Simulation in Support of Quality by Design, paper presented at the AIChE

Annual Meeting, Nashville, TN., November 8-13, 2009

16. Novel Approach for Estimating Thermophysical Properties of Fats and Vegetable Oils for

Biodiesel Production Processes, with R. Hockley, L. Zong, and S. Ramanathan, paper

presented at ACHEMA 2009, Frankfurt am Main, Germany, May 11-15, 2009

17. What’s New: Aspen Solubility Modeler, paper presented at Aspen Worldwide User

Conference, Houston, Texas, May 4-7, 2009

18. Formulation and Behavior of a Symmetric Electrolyte NRTL-SAC Model for Excess Gibbs

Energy of Electrolyte Systems, with Y. Song and G.M. Bollas, paper presented at the AIChE

Annual Meeting, Philadelphia, Pennsylvania, November 16-21, 2008

19. Refined Electrolyte-NRTL Model: Inclusion of Hydration for the Detailed Description of

Electrolyte Solutions. Part I. Single Electrolytes up to Moderate Concentrations, Single Salts

up to the Solubility Limit, with G.M. Bollas and P.I. Barton, paper presented at the AIChE


20. Model Based Solvent Selection with NRTL-SAC Including Use of Chromatographic Retention

Times as Model Input, with A.J. Marchut and O. Lyngberg, paper presented at the AIChE


21. A Rate-Based Process Modeling Study of CO2 Capture with Aqueous Amine Solutions Using

aspenONE process Engineering, presented at the 33rd International Technical Conference on

Coal Utilization & Fuel Systems (“The Clearwater Coal Conference”), Clearwater, Florida,

June 1-5, 2008

22. AspenTech Research Initiatives, presented at the China User Group Meeting, Hangzhou,

China, May 27-28, 2008

Chau-Chyun Chen

16

23. AspenTech R&D Initiatives in 2006.5 and Future Release, presented at the Japan User Group

Meeting, Tokyo, Japan, May 20-21, 2008

24. Rate-Based CO2 Capture Solvent Packages in aspenONE 2006.5, presented at the Japan User

Group Meeting, Tokyo, Japan, May 20-21, 2008

25. A Rate-Based Process Modeling Study of CO2 Capture with Aqueous MEA Solution, with

Rob Hockley, presented at the IChemE’s Fluid Separations Subject Group Technical Meeting

on Capture of CO2 from Combustion Processes, University College London, London, UK,

April 18, 2008

26. A Rate-Based Process Modeling Study of CO2 Capture with Aqueous MEA Solution, with

Davy Zuo, paper presented at the AIChE Annual Meeting, Salt Lake City, Utah, November

4-9, 2007

27. The Significance of Mixing Rules, Hydration and Complex Formation in the electrolyte

NRTL Model, with G.M. Bollas and P.I. Barton, paper presented at the AIChE Annual

Meeting, Salt Lake City, Utah, November 4-9, 2007

28. Solubility Modeling from High Throughput Solvent Screening, with Jose E. Tabora, paper

presented at the AIChE Annual Meeting, Salt Lake City, Utah, November 4-9, 2007

29. A Practical Molecular Thermodynamic Model for Pharmaceutical Industry, presented at 11th

International Conference on Properties and Phase Equilibria for Product and Process Design,

Hersonissos, Crete, Greece, May 20-25, 2007

30. New Technologies for Product-on-Demand Design, with M. Frenkel, S. Watanasiri, R.D.

Chirico, V. Diky and C. Muzny, presented at 11th International Conference on Properties and

Phase Equilibria for Product and Process Design, Hersonissos, Crete, Greece, May 20-25,

2007

31. Solubility in Process and Product Development of Pharmaceuticals, with H.-H. Tung et al.,

presented at the AspenTech NALA Pharmaceutical Seminar on aspenONE for Process

Development, East Princeton, NJ, May 16, 2007

32. Models, Tools and Best Practices in Solubility Modeling, presented at the AspenTech NALA

Pharmaceutical Seminar on aspenONE for Process Development, East Princeton, NJ, May

16, 2007

33. RateSep – A New and Innovative Rate-Based Distillation Model for Amine Gas Treating

Processes, paper presented at the AIChE Annual Meeting, San Francisco, CA, November 12-

17, 2006

34. Modeling Pharmaceutical Salt Solubility in Mixed Solvents with eNRTL-SAC, with H.-H.

Tung, paper presented at the AIChE Annual Meeting, San Francisco, CA, November 12-17,

2006

35. Modeling Drug Molecule Solubility with the NRTL Segment Activity Coefficient Model, with

Prashant B. Kokitkar, paper presented at the 14th Larson Workshop of Association of

Crystallization Technology, Princeton, NJ, October 8-11, 2006

36. Correlation and Prediction of Drug Molecule Solubility with the NRTL-SAC Model, with

Peter A. Crafts, paper presented at 16th European Symposium on Computer Aided Process

Engineering and 9th International Symposium on Process Systems Engineering, Garmisch-

Partenkirchen, Germany, July 9-14, 2006

37. Predicting Pharmaceutical Solubility with Aspen’s NRTL-SAC Model, with P. Crafts, D.

Horner, M. Jones, J. Koningen, I. McConvery, paper presented at AstraZeneca PE

Conference 2006, Macclesfield, U.K., June 11, 2006

Chau-Chyun Chen

17

38. Product Direction for AspenONE Process Modeling – Chemicals, paper presented at China

User Group Meeting, Shanghai, China. May 25-26, 2006

39. RateSep – A New and Innovative Rate-Based Distillation Model for Amine Acid Gas Treating

Processes, with S. Oba, T. Suzuki, S. Anavi, H. Chen, J.-J. Peng, and H.-L. Li, paper

presented at the 4th International Symposium on Molecular Thermodynamics and Molecular

Simulation, Chiba, Japan, May 23-25, 2006

40. Solubility Prediction of Pharmaceuticals in Pure and Mixed Solvents with NRTL-SAC, with

Peter A. Crafts, paper presented at Aspen Engineering User Group Meeting, Amsterdam, The

Netherlands, November 7-8, 2005

41. Estimating Solubility of Organic Salts with eNRTL-SAC Model, with Y. Song, paper

presented at the AIChE Annual Meeting, Cincinnati, OH, October 30 - November 1, 2005

42. VT-2005 Sigma-Profile Database: An Open Literature Database of Sigma Profiles for 1055

Organic Molecules, with E. Mullins, Y.A. Liu, R. Oldland, S. Wang, S.I. Sandler, M.

Zwolak, and K.C. Seavey, paper presented at Aspen Engineering User Group Meeting,

Houston, TX, October 24-25, 2005

43. Prediction of Pharmaceuticals Solubility via NRTL-SAC and COSMO-SAC, with Hsien-Hsin

Tung, Nara Variankaval, Jose Tabora, and Daniel Bakken, paper presented at the 16th

International Symposium on Industrial Crystallization, Dresden, Germany, September 11-14,

2005

44. Solubility Modeling with the Non-Random Two-Liquid Segment Activity Coefficient Model,

paper presented at the 2nd Annual CHI Predictive ADME Conference, San Diego, CA,

January 10-11, 2005

45. A Practical Phase Equilibrium Model for Solvent Selection in Pharmaceutical Industry –

Organic Electrolytes, with Y. Song, paper presented at the AIChE Annual Meeting, Austin,

TX, November 7-12, 2004

46. Solubility Modeling and Design of Crystallization Processes, with J.E. Tabora, H.-H. Tung,

D. Bakken, and Yuhua Song, paper presented at ASPENWOLRD 04, Orlando, Florida,

October 10-15, 2004

47. Viscosity Model for Mixtures Containing Polymers, with Lawrence T. Novak and Yuhua

Song, paper presented at ASPENWOLRD 04, Orlando, Florida, October 10-15, 2004

48. Polymer Thermodynamics for Process Modeling, with Y. Song, paper presented at the

AIChE National Meeting, New Orleans, LA, April 25-29, 2004

49. AspenTech’s Engineering Solutions for Chemicals and Polymers, paper presented at the

AspenTech China 2003 Information Technology Forum & User Group Meeting, Beijing,

China, December 3-4, 2003

50. A Practical Phase Equilibrium Model for Solvent Selection in Pharmaceutical Industry,

paper presented at the AIChE Annual Meeting, San Francisco, CA, November 16-21, 2003

51. Polymers Plus Development Directions, with D.A. Tremblay, paper presented at the

AspenTech User Group Meeting, New Orleans, LA, October 5-8, 2003, and Paris, France,

October 19-22, 2003

52. A Generalized Electrolyte NRTL Model for Mean Ionic Activity Coefficients of Mixed-Solvent

Electrolyte Systems, paper presented at the AspenTech User Group Meeting, Paris, France,

October 19-22, 2003

53. A New POLYMIX-Based Algorithm to Solve Complex Phase Behavior of Polymer Systems,

with R.D. Swindoll, P.K. Jog, S. Lingard, and Y. Song, paper presented at the AspenTech

Chau-Chyun Chen

18

User Group Meeting, New Orleans, LA, October 5-8, 2003, and Paris, France, October 19-

22, 2003

54. Solubility Modeling in Pharmaceutical Process Design, with D. Bakken, J.E. Tabora, H.-H.

Tung, O. Davidson, M. Thien, C. Rentsch, and Y. Song, paper presented at the AspenTech

User Group Meeting, New Orleans, LA, October 5-8, 2003, and Paris, France, October 19-

22, 2003

55. Phase Equilibrium Predictions and Applications with COSMO Solvation Models, with S.

Oba, P.M. Mathias, and Y. Song, paper presented at the 3rd International Symposium on

Molecular Thermodynamics and Molecular Simulation, Sendai, Japan, May 27-30, 2003

56. Facilitating Property Calculation within the Product and Process Lifecycle, with V. De

Leeuw, paper presented at Laboratory of Thermodynamics and Phase Equilibrium, Center of

Energetics, Ecole de Mines, March 28, 2003

57. Improvements of Phase Equilibrium Predictions for Hydrogen-Bonding Systems from a New

Energy Expression with COSMO Solvation Models, with P. M. Mathias, S. I. Sandler, Y.

Song, and S.-T. Lin, paper presented at the AIChE Annual Meeting, Indianapolis, IN.,

November 3-8, 2002

58. Industrial Perspectives on Polymer Process Modeling: Accomplishments, Deficiencies, and

Opportunities, with R. Swindoll and K.-D. Hungenberg, paper presented at ASPENWORLD

02, Washington D.C., October 27-November 1, 2002

59. Melt Index Prediction Using the Polymer Molecular Weight Distribution, with K.C. Seavey,

N.P. Khare, Y.A. Liu and T.N. Williams, paper presented at ASPENWORLD 02,

Washington, D.C., October 27-November 1, 2002

60. Polymers Plus – A Status Report, paper presented at ASPENWORLD 02, Washington, D.C.,

October 27-November 1, 2002

61. Applied Thermodynamics in Industrial Applications – Vision on Technology and Economic

Impact on Process Industry, with S. Oba, Y. Kumagae and P.M. Mathias, paper presented at

the 6th International Symposium on Separation Technology between Japan and Korea,

October 2002

62. Melt Index Prediction Using the Polymer Molecular Weight Distribution, with K.C. Seavey,

N.P. Khare, Y.A. Liu and T.N. Williams, paper presented at the AIChE Spring Meeting, New

Orleans, LA, March 10-14, 2002

63. Simulation of Electrolyte Processes - Status and Challenges, with P. M. Mathias, paper

presented at the AIChE Spring Meeting, New Orleans, LA, March 10-14, 2002

64. A Representation of the Thermodynamic Properties of Sulfuric Acid and Oleum, with P.M.

Mathias, B.-S. Zou, D.L. Randolph III and F.J. Doering, paper presented at the AIChE

Annual Meeting, Reno, NV, November 4-9, 2001

65. Thermodynamic Model for the HI-I2-H2O System, with P.M. Mathias, L.C. Brown and D.

Ramrus, paper presented at the AIChE Annual Meeting, Reno, NV, November 4-9, 2001

66. Design of Polymer Processes using the Coupling of Commercial Simulation Packages

Polymers Plus and PREDICI, paper presented at 7th Polymer Reaction Engineering

Workshop, Hamburg, Germany, October 8-10, 2001

67. Application of the Electrolyte-Polymer NRTL Model to Liquid-Liquid Equilibrium of

Aqueous Solutions Containing Polymer and Salt, with C.P. Bokis and P.M. Mathias, paper

presented at the AIChE Spring National Meeting, Houston, TX, April 22-26, 2001

68. A Segment-Based Excess Gibbs Energy Model for Aqueous Organic Electrolyte Systems,

with C.P. Bokis and P.M. Mathias, paper presented at the AIChE Annual Meeting, Los

Chau-Chyun Chen

19

Angeles, CA, November 13-17, 2000

69. Modeling Polyethylene Fractionation Using the Statistical Associating Fluid Theory, with

C.P. Bokis and E. Cheluget, J. Fisher and L. Wardhaugh, paper presented at Third Joint

China/USA Chemical Engineering Conference, Beijing, China, September 25-28, 2000

70. Modeling the Complex Chemical Reactions and Mass Transfer in a Phosphoric Acid

Reactor, with P.M. Mathias and M. Walters, paper presented at Third Joint China/USA

Chemical Engineering Conference, Beijing, China, September 25-28, 2000

71. Development and Application of HDPE Reaction Simulation Model, paper presented at

Aspen World China, Beijing, China, July 13-14, 2000

72. Use AspenTech Polymer Modeling Solution to Capture, Communicate and Apply Process

Fundamentals in R&D, Process Engineering, and Training Operators, paper presented at

ASPENWORLD 2000, Orlando, Florida, February 6-11, 2000

73. Unification of Hydration and Dissociation Chemistries with the Electrolyte NRTL Model,

with P.M. Mathias and H. Orbey, paper presented at the AIChE Annual Meeting, Dallas, TX,

Oct 31-Nov 5, 1999

74. Physical Properties and Phase Equilibria in Polymer Process Simulation, with C.P. Bokis

and H. Orbey, paper presented at the AIChE National Meeting, Houston, TX, March 14-18,

1999

75. Opportunities and Challenges for Simulation in the Inorganic-Chemicals, Metals and Mining

Industries, with P.M. Mathias, P. Talley and M. Mendez, paper presented at ASPENWORLD

97, Boston, MA, October 13-15, 1997

76. A Practical Emulsion Copolymerization Model - II. Homogeneous Nucleation, with S.R.

Ponnuswamy and F. Bettenwort, paper presented at ASPENWORLD 97, Boston, MA,

October 13-15, 1997

77. Design, Control, and Optimization of Polymerization Processes, with T. Mock, paper

presented at Chemputers IV Conference, Houston, Texas, March 1996

78. A Phase-Equilibrium Model for Semi-Crystalline Polymers, with D. Embry, paper presented

at the AIChE Spring National Meeting, New Orleans, February 25-29, 1996

79. An Industrial Perspective in Modeling Polymer Reactors and Processes, with S.Ramanathan,

D.A. Tremblay, K. Ravindranath, M. Osias, and T. Mock, paper presented at the Seminar on

Process Modeling for Operator Training, Simulation and Optimization, Antweep, Belgium,

Oct 12, 1995

80. AspenTech Polymers Technology Program, paper presented at ASPENWORLD 94, Boston,

MA. November 6-9, 1994

81. BioProcess Simulation: Meeting the Challenges for Today’s Pharmaceutical and

Biotechnology Industries, with Y. Zhu and J.G. Stramondo, paper presented at the AIChE

Annual Meeting, San Francisco, CA, Nov. 13-18, 1994

82. Computer Modeling of Chemical Processes with Electrolytes, paper presented at the

Symposium on Basic Chemistry for Industrial Applications, ACS National Meeting,

Washington, D.C., August 21-25, 1994

83. Thermodynamic Analysis in Protein Aggregation and Protein Refolding, paper presented at

the 7th Annual BPEC Symposium on Protein Processing & Protein Interactions, MIT,

Cambridge, Mass., November 23-24, 1992

84. Simulation of Polymer Manufacturing Plants, with S. Ramanathan, M. Barrera, M. Osias,

D.A. Tremblay, and G. Ko, paper presented at the 4th International Workshop on Polymer

Reaction Engineering, Berlin, Germany, October 12-14, 1992

Chau-Chyun Chen

20

85. Application of Simulation to Agrichemical Processes, with D. Denholm, Pao-Chen Wu,

paper presented at the AIChE Annual Meeting, Miami Beach, FL, 1992

86. A Segment-Based Local Composition Model for the Gibbs Energy of Polymer Solutions,

paper presented at the 6th International Conference on Fluid Properties and Phase Equilibria

for Chemical Process Design, Cortina d’Ampezzo, Italy, July 19-22, 1992

87. Process Simulation in Polymer Manufacturing, with G.H. Ko, M. Osias, D.A. Tremblay, and

M.D. Barrera, paper presented at European Symposium on Computer Aided Process

Engineering (ESCAPE-1), Elsinore, Denmark, May 24-28, 1992

88. Molecular Thermodynamic Modeling of Polypeptide Chain Folding, with L.B. Evans and Y.

Zhu, paper presented at ASPENWORLD 91, Boston, MA, November 3-6, 1991

89. Simulation of MSW Incineration in a Water-Walled Rotary Combustor, with W.-C. Yang,

N.H. Ulerich, S.V. Dighe, and I.H. Farag, paper presented at ASPENWORLD 91, Boston,

MA, November 3-6, 1991

90. Modeling of a Partition-Transmutation-Disposal System with ASPEN PLUS, with B.J.

Knutson, L.G. Niccoli, G. Jansen, and I.H. Farag, paper presented at ASPENWORLD 91,

Boston, MA, November 3-6, 1991

91. Simulation of Polymer Processes with Aspen PlusTM, with G.H. Ko, M. Barrera, D.A.

Tremblay, and M. Oasia, paper presented at ACHEMA 91, Frankfurt am Main, Germany,

June 9-15, 1991

92. Addressing Industrial Waste Treatment Problems by Simulation, with I.H. Farag and D.L.

Denholm, paper presented at ACHEMA 91, Frankfurt am Main, Germany, June 9-15, 1991

93. Modeling of the CURE Partition-Transmutation System with the Aspen Plus Flowsheet

Simulator, with L.G. Niccoli, G. Jansen, Jr., and I.H. Farag, paper presented at Emerging

Technologies for Waste Management, 1991 Industrial & Engineering Chemistry Division

Special Symposium, American Chemical Society, Atlanta, GA, Oct 1-3, 1991

94. Process Modeling of Food Processing Systems, with M.-W. Hsieh, paper presented at

Conference of Food Engineering (CoFE’91), Chicago, IL., March 11-13, 1991

95. Simulation of Food Processes Using Aspen Plus or BPS, with D. Denholm, I. Gosling, and P.

Chan, paper presented at Conference of Food Engineering (CoFE’91), Chicago, IL., March

11-13, 1991

96. Modeling of the CURE Partition-Transmutation System with the Aspen Plus Flowsheet

Simulator, with L.G. Niccoli, G. Jansen, Jr., and I.H. Farag, paper presented at the Winter

Meeting of the American Nuclear Society, Washington, D.C., November 11-16, 1990

97. Improving Pollution Prevention Process Design by Simulation, with I.H. Farag, P.-C. Wu,

and J. Rosen, paper presented at the AIChE Summer National Meeting, San Diego, CA,

August 19-22, 1990

98. Application of Aspen Plus in Simulation of High Pressure Tubular Polyethylene Reactor,

with G.H. Ko and S. Anavi, paper presented at the AIChE National Meeting, Orlando, FL.,

March 1990

99. A Segment-Based Molecular Thermodynamic Model for Phase Behavior of Biomolecules,

with Y. Zhu and L.B. Evans, paper presented at the AIChE National Meeting, Orlando, FL.,

March 1990

100. A Model of Vapor-Liquid Equilibria for Aqueous Gas-Alkanolamine Systems. II.

Representation of H2S and CO2 Solubility in MDEA and CO2 Solubility in Aqueous MDEA

and MEA or DEA, with D. Austgen and G.T. Rochelle, paper presented at the AIChE Spring

Meeting, Houston, TX, 1989

Chau-Chyun Chen

21

101. Applications Modeling Project Execution, paper presented at AspenTech Japan User

Group Meeting, Kyoto, Japan, 1989

102. Application of Aspen Plus in the Pulp & Paper Industry, with D. Denholm, paper

presented at the AIChE Annual Meeting, November 5-10, 1989

103. Ionic Activity Coefficients of Mixed-Solvent Electrolyte Systems, paper presented at

ASPENWORD 88, Amsterdam, Netherlands, November 13-16, 1988

104. Phase Partitions of Biomolecules – Solubilities of Amino Acids, with L.B. Evans and Y.

Zhu, paper presented at ASPENWORD 88, Amsterdam, Netherlands, November 13-16, 1988

105. A Physical Property Model for Caustic Evaporator, with J. Gibson, D. Phipps and P.

Collier, paper presented at ASPENWORD 88, Amsterdam, Netherlands, November 13-16,

1988

106. Model of Vapor-Liquid Equilibria for Aqueous Gas Alkanolamine Systems Using the

Electrolyte NRTL Model, with D.M. Austgen, G.T. Rochelle, and X. Peng, paper presented at

the AIChE Spring Meeting, New Orleans, LA, 1988

107. Role of Computerized Modeling and Simulation in the Development of Life Support

System Technology, with M. Modell, P. Evanich, S. Anavi, and J. Mai, paper presented at the

27th Meeting of the Committee on Space Research, Espoo, Finland, July 18-29, 1988

108. A Representation of Thermodynamic Properties of Aqueous Sulfuric Acid, with S.M.

Goldfarb, paper presented at the 10th Symposium on Thermophysical Properties, National

Bureau of Standards, Gaithersburg, Maryland, April 1988

109. A Representation of Thermodynamic Properties of Aqueous Sulfuric Acid, with R.A.

Trevino-Lozano and S.M. Goldfarb, paper presented at Modeling and Simulation of

Metallurgical & Chemical Processes, Mons, Belgium, May 9-10, 1988

110. Process Simulation of Polymerization Processes, with T.L. Mock, D.L. Phipps, Jr., and

R.A. Greenberg, paper presented at the AIChE Spring Meeting, New Orleans, LA, March 6-

8, 1988

111. An Algorithm for Solving Simultaneous Phase and Chemical Equilibria of Electrolyte

Systems, with Jin-Qing Yang, paper presented at the AIChE Annual Meeting, New York,

NY, November 15-20, 1987

112. Computer Simulation in Design of Hazardous Waste Treatment Processes, with E.D.

Treworgy and D.P. Ostrye, paper presented at the Hazardous Materials Management

Technical Conference, Chattanooga, TN, June 8-12, 1987

113. Simulation of Electrolyte Systems with Aspen Plus, with H.I. Britt and J.F. Boston, paper

presented at the International Conference on Thermodynamics of Aqueous Systems with

Industrial Applications, Airlie House, Warrenton, VA, May 10-14, 1987

114. Process Simulation of Metallurgical Processes, with H.J. Herzog, J.D. Lenoir and L.

Crabs, paper presented at the Benelux Process Control in Metallurgy Symposium, Brussels,

Belgium, May, 1986

115. Representation of Solid-Liquid Equilibrium of Aqueous Electrolytes with the Electrolyte

NRTL Model, paper presented at the International Meeting on Phase Equilibrium Data, Paris,

France, September 5-13, 1985

116. Computer Simulation of an Existing Ammonia Plant, with S.C. Moore and T.M. Piper,

paper presented at the 1985 AIChE Ammonia Safety Symposium, Seattle, August 25-28,

1985

Chau-Chyun Chen

22

117. Thermodynamic Representation of Phase Equilibria in Multiple-Solvent Electrolyte

Systems, with B. Mock and L.B. Evans, paper presented at the AIChE Annual Meeting, San

Francisco, CA, November 25-30, 1984

118. A Local Composition Model for the Excess Gibbs Energy of Multicomponent Aqueous

Electrolyte Systems, with L.B. Evans, paper presented at the AIChE Annual Meeting, San

Francisco, CA, November 25-30, 1984

119. Computer-Aided Engineering of Electrolyte Systems, with L.B. Evans, paper presented at

the AIChE Annual Meeting, San Francisco, CA, November 25-30, 1984

120. Process Simulation of Electrolyte Systems, with H.I. Britt and J.F. Boston, paper

presented at the 1984 Summer Computer Simulation Conference, Boston, MA, July 23-25,

1984

121. Phase Equilibria in Multiple-Solvent Electrolyte Systems: A New Thermodynamic Model,

with B. Mock and L.B. Evans, paper presented at the 1984 Summer Computer Simulation

Conference, Boston, MA, July 23-25, 1984

122. Bayer Process Simulation by ASPEN, with J.F. Boston, T.J. Galloway, K.Y. Lee and B.

Mock, paper presented at the AIChE Meeting, Anaheim, CA, April 1984

123. New Capabilities in ASPEN PLUS, with J.F. Boston, H.I. Britt, L.B. Evans and P.W.

Gallier, paper presented at the Systems Simulation Symposium of Fossil Fuel Conversion

Processes, Morgantown VA, December 1983

124. Thermodynamic Property Evaluation in Computer-Based Flowsheet Simulation for

Aqueous Electrolyte Systems, with H.I. Britt, J.F. Boston and W.M. Clarke, paper presented

at the AIChE National Meeting, Denver, CO, August 28-31, 1983

125. Bayer Process Simulation by ASPEN, with J.F. Boston, T.J. Galloway, K.Y. Lee and B.

Mock, paper presented at the AIME Meeting, Atlanta, GA, March 1983

126. Modeling of an Oil-Shale Fluidized-Bed Retorting Process Using ASPEN, with L.B.

Evans, J. Floess, L. Fong and J.P. Longwell, paper presented at the AIChE Meeting, Detroit,

MI, August 1981

127. ASPEN Electrolyte Simulation Capabilities, with J.F. Boston, H.I. Britt, and L.B. Evans,

paper presented at the AIChE National Meeting, Houston, TX, April 1981

128. Two New Activity Coefficient Models for the Vapor-Liquid Equilibrium of Electrolyte

Systems, with H.I. Britt, J.F. Boston and L.B. Evans, paper presented at the Conference on

the Thermodynamics of Aqueous Systems with Industrial Applications, Airlie House,

Warrenton, VA, October 22-25, 1979

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